SCHEMBL9015142

SCHEMBL9015142

O=[N+]([O-])c1c(C(F)(F)F)[nH]c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 8/20 0.44
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GYS1 P13807 1/20 0.36
ARF6 P62330 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HCRTR1 O43613 1/20 0.34
PKM P14618 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9015099 0.94 PSD (0.47) PSDMEN1HTTKMT2AABCC8
SCHEMBL9015076 0.90 PSD (0.44) PSDMEN1HTTKMT2AABCC8
SCHEMBL9015083 0.90 PSD (0.43) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015144 0.85 PSD (0.42) PSDMEN1HTTKMT2AABCC8
SCHEMBL9015125 0.84 PSD (0.47) PSDMEN1HTTKMT2AABCC8
SCHEMBL9339859 0.80 PSD (0.41) PSDMEN1HTTKMT2AABCC8
SCHEMBL9015058 0.79 PSD (0.43) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015123 0.78 PSD (0.39) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015150 0.77 ARF6 (0.39) PSDMEN1KMT2AABCC8KCNJ11
SCHEMBL9015158 0.77 PSD (0.39) PSDABCC8KCNJ11ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed
JP-4290865-A None JP disclosed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed
JP-H04290865-A INSECTICIDAL AND MITICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUND AMERICAN CYANAMID CO 1992-10-15 JP disclosed